4-Hydroxybenzylamine
Based on 1 Customer Validation
4-Hydroxybenzylamine is a dimerizer and precursor. 4-Hydroxybenzylamine forms cyclic dimers stabilized by O-H/N hydrogen bonds and π-stacking interactions in solution. 4-Hydroxybenzylamine undergoes condensation with formaldehyde to form a 12-atom azacyclophane, facilitated by pre-organization into cyclic dimeric templates.
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- Pureza : 99.80%
- No. CAS: 696-60-6
- Fòrmula: C7H9NO
- Peso molecular:123.16
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Almacenamiento:
4°C, protect from light
* In solvent : -80°C, 6 months; -20°C, 1 month (protect from light)
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Actividad biológica
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Chemical Information
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Solvente y solubilidad
- Pureza y Documentación
- Referencias
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Help & FAQs
Actividad biológica
Descripciòn
In Vitro
Computational analysis shows that 4-hydroxybenzylamine forms thermodynamically stable cyclic O-H/N dimers, stabilized by π-stacking interactions, with a strong preference for cyclic over linear dimers (Kgpint = 1.81 × 102 in gas phase), and dioxane is the most effective solvent for promoting cyclic dimer formation (ΔGsoldim = -5.0 kcal mol-1)[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only. .
Chemical Information
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No. CAS 696-60-6
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Appearance Solid
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Peso molecular 123.16
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Fòrmula C7H9NO
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Color White to yellow
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SMILES
OC1=CC=C(CN)C=C1
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Structure Classification
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Initial Source
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Envío
Room temperature in continental US; may vary elsewhere.
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Almacenamiento
4°C, protect from light
* In solvent : -80°C, 6 months; -20°C, 1 month (protect from light)
Solvente y solubilidad
In Vitro:
DMSO : 100 mg/mL (811.95 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (protect from light). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (protect from light). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
In Vivo:
Select the appropriate dissolution method based on your experimental animal and administration route.
- For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
- To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for In Vivo experiments, it is recommended to prepare freshly and use it on the same day.
- The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.
Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 2.5 mg/mL (20.30 mM); Clear solution
This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 2.5 mg/mL (20.30 mM); Clear solution
This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
In Vivo Dissolution Calculator
Please enter the basic information of animal experiments:
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Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Please enter your animal formula composition:
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%DMSO +
Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
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%+
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+%Tween-80 + +
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%Saline +
The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).
Working solution concentration: 0.22 mg/mL
Method for preparing stock solution: mg drug dissolved in μL DMSO. Stock solution concentration: mg/mL. * In solvent : -80°C, 6 months; -20°C, 1 month (protect from light)
1. Take μL DMSO stock solution;
2. Add μL .
μL , mix evenly;
3. Then add μL Tween 80, mix evenly;
4. Then add μL
Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.
Pureza y Documentación
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Ficha de datos (276 KB)
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SDS (394 KB)
- English - EN (394 KB)
- Français - FR (394 KB)
- Deutsch - DE (394 KB)
- Norwegian - NO (394 KB)
- Español - ES (394 KB)
- Swedish - SV (394 KB)
- Italian - IT (394 KB)
- Korean - KR (394 KB)
- Portuguese - PT (394 KB)
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Instrucciones de manejo (2659 KB)
Referencias
Complete Stock Solution Preparation Table
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (protect from light). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
|---|---|---|---|---|---|
| DMSO | 1 mM | 8.1195 mL | 40.5976 mL | 81.1952 mL | 202.9880 mL |
| 5 mM | 1.6239 mL | 8.1195 mL | 16.2390 mL | 40.5976 mL | |
| 10 mM | 0.8120 mL | 4.0598 mL | 8.1195 mL | 20.2988 mL | |
| 15 mM | 0.5413 mL | 2.7065 mL | 5.4130 mL | 13.5325 mL | |
| 20 mM | 0.4060 mL | 2.0299 mL | 4.0598 mL | 10.1494 mL | |
| 25 mM | 0.3248 mL | 1.6239 mL | 3.2478 mL | 8.1195 mL | |
| 30 mM | 0.2707 mL | 1.3533 mL | 2.7065 mL | 6.7663 mL | |
| 40 mM | 0.2030 mL | 1.0149 mL | 2.0299 mL | 5.0747 mL | |
| 50 mM | 0.1624 mL | 0.8120 mL | 1.6239 mL | 4.0598 mL | |
| 60 mM | 0.1353 mL | 0.6766 mL | 1.3533 mL | 3.3831 mL | |
| 80 mM | 0.1015 mL | 0.5075 mL | 1.0149 mL | 2.5373 mL | |
| 100 mM | 0.0812 mL | 0.4060 mL | 0.8120 mL | 2.0299 mL |
4-Hydroxybenzylamine Related Classifications
HY-W004078 Related Classifications
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